1,3-Cyclohexanedicarbonyl dichloride (9CI)

Base Information

• Chemical Name: 1,3-Cyclohexanedicarbonyl dichloride (9CI)
• CAS No.: 27768-32-7
• Molecular Formula: C8H10 Cl2 O2
• Molecular Weight: 209.07
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID60593180
• Nikkaji Number: J1.342.506J
• Mol file: 27768-32-7.mol

Synonyms:27768-32-7;1,3-Cyclohexanedicarbonyl dichloride (9CI);C8H10Cl2O2;SCHEMBL890370;DTXSID60593180;cyclohexane-1,3-dicarbonyl chloride;Cyclohexane-1,3-dicarbonyl dichloride

Chemical Property of 1,3-Cyclohexanedicarbonyl dichloride (9CI)

Chemical Property:

• PSA: 34.14000
• LogP: 2.32360
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.0057849
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99%min ^*data from raw suppliers

1,3-CyclohexanedicarbonylDichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC(C1)C(=O)Cl)C(=O)Cl

Technology Process of 1,3-Cyclohexanedicarbonyl dichloride (9CI)

There total 3 articles about 1,3-Cyclohexanedicarbonyl dichloride (9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cyclohexane-1,3-dicarboxylic acid (3971-31-1) → cyclohexane-1,3-dicarbonyl dichloride (27768-32-7,22605-66-9,46065-16-1)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo00297a010

Reference yield:

isophthalic acid (121-91-5) → cyclohexane-1,3-dicarbonyl dichloride (27768-32-7,22605-66-9,46065-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Rh/C

2: SOCl₂

With thionyl chloride; hydrogen; Rh on carbon;

DOI:10.1021/jo00297a010

Reference yield:

→ cyclohexane-1,3-dicarbonyl dichloride (27768-32-7,22605-66-9,46065-16-1)

Guidance literature:

Hexahydrohomoisophthalsaeure, SOCl2;

DOI:10.1021/ja00967a011

upstream raw materials:

cyclohexane-1,3-dicarboxylic acid

isophthalic acid

Downstream raw materials:

(1S,3R)-1,3-Dimethyl-3-(pyrrolidine-1-carbonyl)-cyclohexanecarboxylic acid cyanomethyl ester

dimethyl ester of cis-1,3-dimethylcyclohexane-1,3-dicarboxylic acid

1,3-Dimethylcyclohexan-1,3-dicarbonsaeure

dimethyl cyclohexane-1,3-dicarboxylate

Refernces

• 1、 -. "COMPOUNDS AND THEIR METHODS OF USE". Page/Page column 118. . Retrieved 2015/11/11.